3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide

C19H31N3O4S — CID 113138299

IUPAC3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O4S/c1-16(2)17-6-4-5-7-18(17)20-19(23)8-9-22(27(3,24)25)11-10-21-12-14-26-15-13-21/h4-7,16H,8-15H2,1-3H3,(H,20,23)
InChIKeyWGUQRBCCLKSEHN-UHFFFAOYSA-N
MW397.54 g/mol
LogP1.73
Rot. Bonds9

About 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide

3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113138299) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113138299
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C19H31N3O4S/c1-16(2)17-6-4-5-7-18(17)20-19(23)8-9-22(27(3,24)25)11-10-21-12-14-26-15-13-21/h4-7,16H,8-15H2,1-3H3,(H,20,23)
InChIKeyWGUQRBCCLKSEHN-UHFFFAOYSA-N
XLogP1.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138283
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113137715
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 78823309
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
2-N-(2-morpholin-4-ylethyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109096478

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide (CID 113138299) is 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCN(CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is WGUQRBCCLKSEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-16(2)17-6-4-5-7-18(17)20-19(23)8-9-22(27(3,24)25)11-10-21-12-14-26-15-13-21/h4-7,16H,8-15H2,1-3H3,(H,20,23).
What are the key properties of 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide?
3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 397.54 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113138299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).